ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Plasma membrane calcium-transporting ATPase 1

Intramolecular
Cysteine 611 and cysteine 676
Cysteine 611 and cysteine 649
Cysteine 649 and cysteine 676
A redox-regulated disulphide may form within Plasma membrane calcium-transporting ATPase 1 between cysteines 611 and 676.

Details

Redox score ?
73
PDB code
6a69
Structure name
cryo-em structure of a p-type atpase
Structure deposition date
2018-06-27
Thiol separation (Å)
4
Half-sphere exposure sum ?
82
Minimum pKa ?
8
% buried
66
Peptide accession
P20020
Residue number A
611
Residue number B
676
Peptide name
Plasma membrane calcium-transporting ATPase 1

Ligandability

Cysteine 611 of Plasma membrane calcium-transporting ATPase 1

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

Cysteine 676 of Plasma membrane calcium-transporting ATPase 1

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

A redox-regulated disulphide may form within Plasma membrane calcium-transporting ATPase 1 between cysteines 611 and 649.

Details

Redox score ?
67
PDB code
6a69
Structure name
cryo-em structure of a p-type atpase
Structure deposition date
2018-06-27
Thiol separation (Å)
5
Half-sphere exposure sum ?
75
Minimum pKa ?
8
% buried
74
Peptide accession
P20020
Residue number A
611
Residue number B
649
Peptide name
Plasma membrane calcium-transporting ATPase 1

Ligandability

Cysteine 611 of Plasma membrane calcium-transporting ATPase 1

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

Cysteine 649 of Plasma membrane calcium-transporting ATPase 1

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

A redox-regulated disulphide may form within Plasma membrane calcium-transporting ATPase 1 between cysteines 649 and 676. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
46
PDB code
6a69
Structure name
cryo-em structure of a p-type atpase
Structure deposition date
2018-06-27
Thiol separation (Å)
7
Half-sphere exposure sum ?
87
Minimum pKa ?
12
% buried
78
Peptide accession
P20020
Residue number A
649
Residue number B
676
Peptide name
Plasma membrane calcium-transporting ATPase 1

Ligandability

Cysteine 649 of Plasma membrane calcium-transporting ATPase 1

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

Cysteine 676 of Plasma membrane calcium-transporting ATPase 1

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

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